Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
P31151
UPID:
S10A7_HUMAN
Alternative names:
Psoriasin; S100 calcium-binding protein A7
Alternative UPACC:
P31151; Q5SY67; Q6FGE3; Q9H1E2
Background:
Protein S100-A7, also known as Psoriasin and S100 calcium-binding protein A7, plays a pivotal role in the regulation of several cellular processes through its calcium-binding capabilities. Its involvement in the intricate network of intracellular signaling pathways underscores its importance in cellular homeostasis and response mechanisms.
Therapeutic significance:
Understanding the role of Protein S100-A7 could open doors to potential therapeutic strategies. Its critical function in cellular signaling and regulation positions it as a key target for therapeutic intervention, promising advancements in treatment methodologies.